Chemical Properties of 3«alpha»-Acetoxytropane

InChI

InChI=1S/C10H17NO2/c1-7(12)13-10-5-8-3-4-9(6-10)11(8)2/h8-10H,3-6H2,1-2H3/t8-,9+,10+

InChI Key

MDIDMOWWLBGYPG-MYJAWHEDSA-N

Formula

C10H17NO2

SMILES

CC(=O)OC1CC2CCC(C1)N2C

Molecular Weight¹

183.25

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-1.57		Crippen Calculated Property
logPoct/wat	1.175		Crippen Calculated Property
McVol	147.460	ml/mol	McGowan Calculated Property
Inp	[1303.00; 1341.00]
Inp	1308.00		NIST
Inp	1340.00		NIST
Inp	1341.00		NIST
Inp	1303.00		NIST
Inp	1308.00		NIST

Similar Compounds

Find more compounds similar to 3«alpha»-Acetoxytropane.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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